(2S)-({N-[(3S)-3-({N-[(2S,4E)-2-Isopropyl-7-Methyl-4-Octenoyl]-L-Leucyl}Amino)-2-Oxohexanoyl]Glycyl}Amino)(Phenyl)Acetic Acid

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Properties Simple | Detailed

Formula C34H52N4O7
IUPAC Name (2s)-2-[[2-[[(3s)-3-[[(2s)-2-[[(e,2s)-2-isopropyl-7-methyl-oct-4-enoyl]amino]-4-methyl-pentanoyl]amino]-2-oxo-hexanoyl]amino]acetyl]amino]-2-phenyl-acetic acid
Molecular Mass 628.799 g·mol−1
Heat of Formation -1447.9 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 823.71 Å 3
Surface Area 670.89 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
InChIKey KWTWSYDWITXSOY-IMAVGDMBSA-N
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